2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide
TL;DR: 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide (CAS 6640-59-1) is a chemical compound with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-4-methyl-3-oxidoquinazolin-3-ium
Also Known As: 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide, 2-(Chloromethyl)-4-methylquinazoline 3-oxide, 2-(chloromethyl)-4-methyl-3-oxidoquinazolin-3-ium, 2-(Chloromethyl)-4-methylquinazolin-3-ium-3-olate, 2-(chloromethyl)-4-methyl-3-oxido-quinazolin-3-ium
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 6640-59-1 |
|---|---|
| SMILES | CC1=[N+](C(=NC2=CC=CC=C12)CCl)[O-] |
| InChIKey | BUHMBFBOQCPBRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide (CAS 6640-59-1), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: 2-(chloromethyl)-4-methyl-3-oxidoquinazolin-3-ium.
Chemical Property Profile of 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide
Property Insights of 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide. With a topological polar surface area (TPSA) of 38.4 Ų, 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide?
The CAS number of 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide is 6640-59-1.
What is the molecular formula of 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide?
The molecular formula of 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide is C10H9ClN2O.
What is the molecular weight of 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide?
The molecular weight of 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide is 208.04 g/mol.
Where can I buy 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide?
You can request a quote for 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.